N-[5-[2-[(2Z)-2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide

Formula:C27H21N6O2FS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[5-[2-[(2Z)-2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide is not a drug-like molecule.

MolName	N-[5-[2-[(2Z)-2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide
MolecularFormula	C27H21N6O2FS
Smiles	O=C(Cc1nnc(NC(c2ccccc2)=O)s1)N/N=C\c1cn(Cc(cccc2)c2F)c2c1cccc2
InChI	InChI=1S/C27H21FN6O2S/c28-22-12-6-4-10-19(22)16-34-17-20(21-11-5-7-13-23(21)34)15-29-31-24(35)14-25-32-33-27(37-25)30-26(36)18-8-2-1-3-9-18/h1-13,15,17H,14,16H2,(H,31,35)(H,30,33,36)
InChIK	YDZHGVFLFKGAID-UHFFFAOYSA-N
TotalMolweight	512.568
Molweight	512.568
MonoisotopicMass	512.143072
CLogP	4.8207
CLogS	-5.697
H Acceptors	8
H Donors	2
TotalSurfaceArea	386.85
Relative PSA	0.28352
PolarSurfaceArea	129.51
Druglikeness	6.6512
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.59459
Fragments	1
Non HAtoms	37
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	3
StereoCon

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1 - N-[5-[2-[(2Z)-2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide | 2 - N-[5-[2-[(2Z)-2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide

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